1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol

C10H13F3N2O2 — CID 123778548

IUPAC1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol
SMILESCOCC(O)Nc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2/c1-17-5-9(16)15-8-3-6(10(11,12)13)2-7(14)4-8/h2-4,9,15-16H,5,14H2,1H3
InChIKeySNSCHUXJXXQIDB-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.66
Rot. Bonds4

About 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol

1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol (PubChem CID 123778548) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol.

Molecular Properties

Compound Name1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol
PubChem CID123778548
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol
SMILESCOCC(O)Nc1cc(N)cc(C(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O2/c1-17-5-9(16)15-8-3-6(10(11,12)13)2-7(14)4-8/h2-4,9,15-16H,5,14H2,1H3
InChIKeySNSCHUXJXXQIDB-UHFFFAOYSA-N
XLogP1.66
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol?
The IUPAC name of 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol (CID 123778548) is 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol.
What is the SMILES notation for 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol?
The canonical SMILES for 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol is COCC(O)Nc1cc(N)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol?
The InChIKey is SNSCHUXJXXQIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-17-5-9(16)15-8-3-6(10(11,12)13)2-7(14)4-8/h2-4,9,15-16H,5,14H2,1H3.
What are the key properties of 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol?
1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol has a molecular weight of 250.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(trifluoromethyl)anilino]-2-methoxyethanol is sourced from PubChem (CID 123778548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).